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CAS 173522-95-7 H-Phe(3,4-DiCl)-OMe.HCl molecular structure lightbox
CAS RN: 173522-95-7

H-Phe(3,4-DiCl)-OMe.HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-076199
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 173522-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

173522-95-7 / methyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride

Standard CAS: 173522-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173522-95-7
Multi CAS
No
Molecular Formula
C10H12Cl3NO2
Molecular Weight
284.600000
Exact Mass
282.993362
SMILES
COC(=O)[C@H](CC1=CC(=C(C=C1)Cl)Cl)N.Cl
InChI
InChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1
InChIKey
NOTFEHXAVUQWDQ-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.41
TPSA
52.32

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.46
Consensus LogP
2.36
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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